SCHEMBL20470815

SCHEMBL20470815

CC(C)C(=O)N1CC[C@](C)(O)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
CCR1 P32246 10/20 0.36
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
USP19 O94966 1/20 0.32
CNR2 P34972 1/20 0.32
VNN1 O95497 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20470739 1.00 CHRNB2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16219012 1.00 CHRNB2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16750122 0.89 VNN1 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13751427 0.88 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL17177185 0.83 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13819989 0.83 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27906724 0.79 HRH3 (0.35) CNR2VNN1
SCHEMBL25005213 0.78 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5020032 0.78 DPP4 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL17172991 0.78 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2019-04-02 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP CHRNB2 121/4885CHRNA3 139/4885CHRNA4 87/4885
US-10246429-B2 Vinyl fluoride cyclopropyl fused thiazin-2-amine compounds as beta-secretase inhibitors and methods of use BACE1, BACE2, APP CHRNB2 121/4885CHRNA3 139/4885CHRNA4 87/4885
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG CHRNB2 4548/4885CHRNA3 4280/4885CHRNA4 4621/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.